ChemSpider 2D Image | 4-{3-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl}phenyl hydrogen sulfate | C13H13NO8S

4-{3-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl}phenyl hydrogen sulfate

  • Molecular FormulaC13H13NO8S
  • Average mass343.309 Da
  • Monoisotopic mass343.036194 Da
  • ChemSpider ID111258858

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,5-Pyrrolidinedione, 1-[1-oxo-3-[4-(sulfooxy)phenyl]propoxy]- [ACD/Index Name]
4-{3-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl}phenyl hydrogen sulfate [ACD/IUPAC Name]
4-{3-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl}phenylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 4-{3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl}phényle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 75.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 212.6±5.0 cm3

Click to predict properties on the Chemicalize site


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